SCHEMBL3326219

SCHEMBL3326219

Cc1cc(C(F)(F)F)cc(N2CCNCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.57
PRKD1 Q15139 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
CASP1 P29466 2/20 0.46
CASP5 P51878 2/20 0.46
CASP4 P49662 1/20 0.46
HTR2C P28335 3/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR1D P28221 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
ADRB2 P07550 4/20 0.44
NCF1 P14598 3/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30475258 0.85 CRHBP (0.51) CASP1CASP5CASP4ALDH1A1HRH4
SCHEMBL25431906 0.83 ADRB1 (0.59) ADRB1PRKD1PRKD2CASP1CASP5
SCHEMBL13741399 0.81 ADRB2 (0.48) ADRB1CASP1CASP5CASP4HTR2C
SCHEMBL3359788 0.81 ADRB1 (0.54) ADRB1PRKD1PRKD2CASP1CASP5
SCHEMBL16340599 0.80 ADRB1 (0.56) ADRB1PRKD1PRKD2CASP1CASP5
SCHEMBL4499542 0.79 IDH2 (0.43) HTR3EHTR3BALDH1A1HTR3AHTR3D
SCHEMBL945117 0.78 CASP1 (0.53) ADRB1CASP1CASP5CASP4HTR2C
SCHEMBL20469181 0.76 MCHR1 (0.45) ALDH1A1TACR1SLC6A4KCNH2
SCHEMBL4476424 0.75 HRH3 (0.58) HRH4
SCHEMBL2254829 0.75 ADRB2 (0.51) ADRB1PRKD1PRKD2CASP1CASP5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed
EP-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed
EP-1763351-B1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2016-11-30 EP disclosed
EP-1763351-B1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2016-11-30 EP disclosed
US-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-8470827-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-06-25 US disclosed
CN-102382088-A 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORP 2012-03-21 CN disclosed
US-20100119503-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2010-05-13 US disclosed
US-20100119503-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2010-05-13 US disclosed
US-20100119503-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2010-05-13 US disclosed
US-7449467-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors PFIZER INC. (US) 2008-11-11 US disclosed
US-7449467-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors PFIZER INC. (US) 2008-11-11 US disclosed
CN-1976702-A 3-aminocyclopentanecarboxamides as chemokine receptor modulators INCYTE CORP (US) 2007-06-06 CN disclosed
CN-1976707-A 3-aminocyclopentanecarboxamides as chemokine receptor modulators INCYTE CORP (US) 2007-06-06 CN disclosed
EP-1763351-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2007-03-21 EP disclosed
EP-1763347-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2007-03-21 EP disclosed
US-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2006-01-26 US disclosed
WO-2006004741-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2006-01-12 WO disclosed
WO-2006004684-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2006-01-12 WO disclosed
US-20060004018-A1 3-Aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2006-01-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors CCR5, ACKR3, CXCR3 ADRB1 356/4885PRKD1 3506/4885PRKD2 2504/4885
US-20060004018-A1 3-Aminocyclopentanecarboxamides as modulators of chemokine receptors CCR5, ACKR3, CXCR3 ADRB1 356/4885PRKD1 3506/4885PRKD2 2504/4885
US-20100119503-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS CCR5, ACKR3, CXCR3 ADRB1 356/4885PRKD1 3506/4885PRKD2 2504/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.